2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-morpholin-4-ylphenyl)purin-2-yl]cyclohexan-1-ol

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-morpholin-4-ylphenyl)purin-2-yl]cyclohexan-1-ol Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-morpholinophenyl)purin-2-yl]cyclohexanol CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-[4-(4-morpholinyl)phenyl]-2-purinyl]-1-cyclohexanol IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-morpholin-4-ylphenyl)purin-2-yl]cyclohexan-1-ol Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-morpholinophenyl)purin-2-yl]cyclohexanol Formula: C29H29FN6O2 MolecularWeight: 512.577963

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(CCCC1N)C2=NC=C3C(=N2)N(C(=N3)C4=CC(=CC=C4)F)C5=CC=C(C=C5)N6CCOCC6)O

Isomeric SMILES

C#CC1(C(CCCC1N)C2=NC=C3C(=N2)N(C(=N3)C4=CC(=CC=C4)F)C5=CC=C(C=C5)N6CCOCC6)O

InChI

InChI=1S/C29H29FN6O2/c1-2-29(37)23(7-4-8-25(29)31)26-32-18-24-28(34-26)36(27(33-24)19-5-3-6-20(30)17-19)22-11-9-21(10-12-22)35-13-15-38-16-14-35/h1,3,5-6,9-12,17-18,23,25,37H,4,7-8,13-16,31H2